3-methoxy-5-phenylthiophene-2-carboxylic acid

C12H10O3S — CID 14154198

IUPAC3-methoxy-5-phenylthiophene-2-carboxylic acid
SMILESCOc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C12H10O3S/c1-15-9-7-10(16-11(9)12(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)
InChIKeySHXNBNKHMSBRTL-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.12
Rot. Bonds3

About 3-methoxy-5-phenylthiophene-2-carboxylic acid

3-methoxy-5-phenylthiophene-2-carboxylic acid (PubChem CID 14154198) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-methoxy-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-5-phenylthiophene-2-carboxylic acid
PubChem CID14154198
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name3-methoxy-5-phenylthiophene-2-carboxylic acid
SMILESCOc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C12H10O3S/c1-15-9-7-10(16-11(9)12(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)
InChIKeySHXNBNKHMSBRTL-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-methoxy-5-phenylthiophene-2-carboxylic acid (CID 14154198) is 3-methoxy-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-methoxy-5-phenylthiophene-2-carboxylic acid is COc1cc(-c2ccccc2)sc1C(=O)O.
What is the InChIKey of 3-methoxy-5-phenylthiophene-2-carboxylic acid?
The InChIKey is SHXNBNKHMSBRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-15-9-7-10(16-11(9)12(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14).
What are the key properties of 3-methoxy-5-phenylthiophene-2-carboxylic acid?
3-methoxy-5-phenylthiophene-2-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 14154198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).